(-)-5-(3',4',5'-TRIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-4'-O-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H20O11
Molecular Weight	400.3341
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (-)-5-(3',4',5'-TRIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-4'-O-GLUCURONIDE

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=C(C[C@H]3CCC(=O)O3)C=C2O)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=ATYNVCXMADLPJQ-OEDKHLDMSA-N

InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(20)26-7)5-9(19)14(8)27-17-13(23)11(21)12(22)15(28-17)16(24)25/h4-5,7,11-13,15,17-19,21-23H,1-3H2,(H,24,25)/t7-,11+,12+,13-,15+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H20O11
Molecular Weight	400.3341
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:06:27 GMT 2025` Edited by `admin` on `Mon Mar 31 22:06:27 GMT 2025`
Record UNII	F2SE234RYL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-5-(3',4',5'-TRIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-4'-O-GLUCURONIDE

Common Name

English

5-(3',4',5'-TRIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-4'-O-GLUCURONIDE

Preferred Name

English

(2S,3S,4S,5R,6S)-6-(2,6-DIHYDROXY-4-(((R)-5-OXOTETRAHYDROFURAN-2-YL)METHYL)PHENOXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

5-(3'-O-GLUCURONYL-4',5'-DIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE

Common Name

English

Code System Code Type Description

FDA UNII

F2SE234RYL

Created by admin on Mon Mar 31 22:06:27 GMT 2025 , Edited by admin on Mon Mar 31 22:06:27 GMT 2025

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PUBCHEM

156596505

Created by admin on Mon Mar 31 22:06:27 GMT 2025 , Edited by admin on Mon Mar 31 22:06:27 GMT 2025

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CAS

1563180-28-8

Created by admin on Mon Mar 31 22:06:27 GMT 2025 , Edited by admin on Mon Mar 31 22:06:27 GMT 2025

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